#------------------------------------------------------------------------------
#$Date: 2022-06-02 05:17:31 +0300 (Thu, 02 Jun 2022) $
#$Revision: 275740 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/89/2108990.hkl $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2108990
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   9.56350(10)
_cell_length_b                   9.56350(10)
_cell_length_c                   7.58230(10)
_exptl_crystal_F_000             772
_reflns_d_resolution_high        0.3691
_cod_data_source_file            xk5093200Ksup3.hkl
_cod_data_source_block           200K
_shelx_title                     '   '
_shelx_refln_list_code           4
_shelx_f_calc_maximum            435.66
_shelx_f_squared_multiplier      1.000
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z'
'x-y, -y, -z'
'-x, -x+y, -z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'y+2/3, x+1/3, -z+1/3'
'x-y+2/3, -y+1/3, -z+1/3'
'-x+2/3, -x+y+1/3, -z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'y+1/3, x+2/3, -z+2/3'
'x-y+1/3, -y+2/3, -z+2/3'
'-x+1/3, -x+y+2/3, -z+2/3'
loop_
_refln_index_h
_refln_index_k
_refln_index_l
_refln_F_squared_calc
_refln_F_squared_meas
_refln_F_squared_sigma
_refln_observed_status
-1 2 0 11159.50 12216.50 212.50 o
1 1 0 12078.80 13256.00 154.65 o
0 3 0 19286.70 19327.20 236.54 o
-2 4 0 56603.80 59062.20 1438.69 o
2 2 0 55671.70 56534.30 977.92 o
-1 5 0 20851.90 20512.20 225.96 o
1 4 0 20620.70 20436.10 225.02 o
-3 6 0 34009.90 34424.20 620.64 o
3 3 0 37149.70 38859.30 528.44 o
0 6 0 29913.50 29294.00 330.19 o
-2 7 0 41087.00 39767.40 454.59 o
2 5 0 41177.90 40285.80 596.52 o
-4 8 0 11446.50 11629.90 147.16 o
4 4 0 9777.96 9602.74 99.00 o
-1 8 0 3780.40 3713.29 57.05 o
1 7 0 3778.39 3765.59 66.16 o
-3 9 0 9828.50 9851.34 129.50 o
3 6 0 9247.87 9228.50 109.71 o
0 9 0 40380.40 38916.80 502.15 o
-5 10 0 9562.22 9463.64 174.73 o
5 5 0 9358.67 9225.77 107.98 o
-2 10 0 4245.11 4246.95 45.45 o
2 8 0 4223.44 4221.21 46.35 o
-4 11 0 18355.10 17988.80 224.85 o
4 7 0 18445.70 18218.80 105.83 o
-1 11 0 2878.80 2851.57 46.10 o
1 10 0 3560.73 3626.45 48.16 o
-6 12 0 3843.73 3880.28 71.32 o
6 6 0 3290.60 3273.28 62.67 o
-3 12 0 3887.83 3814.05 54.04 o
3 9 0 4658.46 4695.13 53.92 o
0 12 0 3202.26 3183.17 103.93 o
-5 13 0 4477.35 4411.34 71.58 o
5 8 0 4633.38 4609.31 55.74 o
-2 13 0 14035.80 14024.70 213.55 o
2 11 0 13743.20 13871.90 221.46 o
-7 14 0 12755.50 12448.20 239.76 o
7 7 0 12448.60 12452.30 226.46 o
-4 14 0 3517.85 3330.18 82.33 o
4 10 0 3067.14 3132.89 52.84 o
-1 14 0 2253.39 2344.82 95.18 o
1 13 0 2350.03 2336.34 50.53 o
-6 15 0 6611.74 6563.09 142.32 o
6 9 0 6438.30 6512.20 70.60 o
-3 15 0 2271.63 2237.20 63.19 o
3 12 0 2218.59 2279.52 48.19 o
0 15 0 6233.21 6151.04 80.80 o
-8 16 0 1604.06 1547.77 100.83 o
8 8 0 1560.92 1634.30 56.55 o
-5 16 0 5067.27 5056.11 104.97 o
5 11 0 5023.00 5085.17 61.18 o
-2 16 0 5021.91 4862.61 54.10 o
2 14 0 5083.61 4933.70 59.57 o
-7 17 0 1731.45 1711.07 34.78 o
7 10 0 2090.65 2204.12 43.92 o
-4 17 0 2482.34 2457.36 40.42 o
4 13 0 2174.74 2101.24 47.75 o
-1 17 0 1514.05 1557.59 36.68 o
1 16 0 2066.52 2136.35 41.69 o
-9 18 0 7220.27 7171.62 93.98 o
9 9 0 6820.94 6726.32 87.96 o
-6 18 0 1669.59 1675.16 35.79 o
6 12 0 1410.02 1441.47 43.03 o
-3 18 0 1945.48 2000.31 42.11 o
3 15 0 1933.91 1907.44 40.83 o
0 18 0 4697.85 4744.93 50.93 o
-8 19 0 810.55 801.93 30.49 o
8 11 0 874.90 958.96 31.64 o
-5 19 0 1023.32 1068.99 46.66 o
5 14 0 1256.33 1287.10 35.71 o
-2 19 0 816.44 805.92 28.85 o
2 17 0 902.55 956.49 32.38 o
-10 20 0 439.97 392.40 32.48 o
10 10 0 513.43 558.46 32.08 o
-7 20 0 8227.84 8130.69 83.96 o
7 13 0 8170.51 8420.88 125.12 o
-4 20 0 3525.93 3575.51 56.91 o
4 16 0 3377.91 3500.46 45.64 o
-1 20 0 411.36 412.84 26.96 o
1 19 0 419.91 429.73 26.85 o
-9 21 0 748.90 756.41 36.14 o
9 12 0 796.41 838.31 25.13 o
-6 21 0 511.61 533.06 37.09 o
6 15 0 460.24 479.81 23.10 o
-3 21 0 610.50 629.67 34.08 o
3 18 0 704.26 742.83 30.42 o
0 21 0 287.40 278.37 21.51 o
-11 22 0 3907.29 3891.77 75.09 o
11 11 0 4097.56 4268.31 60.59 o
-8 22 0 1215.11 1215.73 51.17 o
8 14 0 1144.70 1151.70 30.29 o
-5 22 0 1064.48 1067.20 48.18 o
5 17 0 1070.72 1128.85 49.43 o
-2 22 0 4178.87 4091.96 126.14 o
2 20 0 4257.63 4246.07 76.32 o
-10 23 0 860.75 848.26 29.50 o
10 13 0 548.48 566.55 26.86 o
-7 23 0 1151.22 1207.51 44.71 o
7 16 0 1244.81 1294.86 46.52 o
-4 23 0 1411.20 1426.85 41.56 o
4 19 0 979.62 962.04 26.33 o
-12 24 0 715.40 737.95 37.90 o
12 12 0 758.98 740.37 39.10 o
-9 24 0 1370.72 1308.63 38.37 o
9 15 0 1374.85 1430.53 67.54 o
-6 24 0 998.70 936.93 31.41 o
6 18 0 1052.15 1053.90 26.67 o
-11 25 0 1072.52 840.56 31.09 o
11 14 0 1004.31 918.32 31.85 o
-8 25 0 708.54 625.93 32.76 o
8 17 0 632.78 587.73 18.56 o
-1 1 1 10017.20 11499.30 128.70 o
0 2 1 73048.80 83029.90 1542.15 o
-2 3 1 20005.30 21336.50 255.74 o
-3 2 1 18261.70 18592.10 85.86 o
-4 4 1 55333.30 57616.50 985.10 o
-1 4 1 18100.30 18415.90 202.80 o
1 3 1 17398.80 17418.20 164.04 o
-3 5 1 23054.60 23085.70 319.71 o
-5 3 1 21953.60 21728.40 211.52 o
0 5 1 21907.70 21290.40 284.77 o
-5 6 1 21428.00 21155.30 232.00 o
-6 5 1 23067.90 22650.00 256.64 o
-2 6 1 25512.60 24947.30 282.84 o
2 4 1 24840.30 24269.20 200.95 o
-7 7 1 10547.70 10682.10 89.91 o
-4 7 1 19283.80 19034.70 215.04 o
-7 4 1 18897.00 18306.40 180.71 o
-1 7 1 14575.60 14489.00 143.64 o
1 6 1 12742.30 12605.50 137.83 o
-6 8 1 10020.90 9908.56 98.77 o
-8 6 1 9438.08 9102.24 122.08 o
-3 8 1 13773.20 13430.20 145.85 o
3 5 1 16102.90 15977.00 186.80 o
0 8 1 5236.09 5061.10 58.82 o
-8 9 1 4644.79 4563.66 66.15 o
-9 8 1 4005.95 3945.38 51.67 o
-5 9 1 23899.30 24012.80 372.27 o
-9 5 1 23731.90 23400.30 235.66 o
-2 9 1 21329.40 21101.10 244.77 o
2 7 1 21239.80 21010.90 212.12 o
-10 10 1 2712.04 2695.40 47.19 o
-7 10 1 5114.13 5058.14 61.58 o
-10 7 1 5633.62 5752.48 108.58 o
-4 10 1 6479.67 6259.52 77.44 o
4 6 1 6638.70 6459.84 68.82 o
-1 10 1 3471.79 3352.97 40.83 o
1 9 1 3234.42 3125.08 41.72 o
-9 11 1 26005.80 25320.40 218.68 o
-11 9 1 26882.90 26624.90 202.68 o
-6 11 1 9647.81 9479.41 95.17 o
-11 6 1 9818.37 9741.23 75.00 o
-3 11 1 5715.11 5579.29 68.47 o
3 8 1 5445.52 5334.44 53.25 o
0 11 1 20447.50 20192.00 363.92 o
-11 12 1 2848.31 2852.89 48.12 o
-12 11 1 2442.84 2459.02 48.43 o
-8 12 1 6689.74 6788.08 80.18 o
-12 8 1 5387.30 5478.10 58.15 o
-5 12 1 5399.55 5406.32 112.06 o
5 7 1 6064.89 6153.05 59.57 o
-2 12 1 3971.09 3950.59 50.08 o
2 10 1 2973.14 2973.50 45.57 o
-13 13 1 4503.87 4587.75 79.21 o
-10 13 1 3771.01 3771.42 69.65 o
-13 10 1 3755.59 3773.60 51.49 o
-7 13 1 4472.58 4408.19 105.58 o
-13 7 1 5164.60 5237.55 59.01 o
-4 13 1 11686.30 11727.10 165.14 o
4 9 1 11983.70 11879.10 102.86 o
-1 13 1 3415.83 3438.58 72.82 o
1 12 1 3941.02 3945.19 61.88 o
-12 14 1 2910.22 2908.55 101.35 o
-14 12 1 2467.77 2544.43 68.29 o
-9 14 1 4085.53 4023.53 110.46 o
-14 9 1 4254.52 4153.19 55.76 o
-6 14 1 8682.24 8566.94 138.41 o
6 8 1 7571.86 7712.43 84.73 o
-3 14 1 3375.20 3368.42 64.59 o
3 11 1 3323.71 3327.10 51.71 o
0 14 1 1862.87 1894.54 44.72 o
-14 15 1 4259.96 4125.78 66.38 o
-15 14 1 5162.87 5175.28 84.10 o
-11 15 1 7504.08 7462.32 128.02 o
-15 11 1 7383.96 7338.41 72.39 o
-8 15 1 3043.63 2896.09 71.97 o
-15 8 1 3809.89 3848.06 59.52 o
-5 15 1 3203.04 3277.05 107.12 o
5 10 1 4053.05 4143.18 58.87 o
-2 15 1 4478.99 4363.68 116.56 o
2 13 1 4263.42 4251.35 69.52 o
-16 16 1 4172.44 4170.24 55.80 o
-13 16 1 3760.84 3692.43 43.68 o
-16 13 1 3648.78 3692.42 69.95 o
-10 16 1 2650.50 2718.04 95.66 o
-16 10 1 2597.29 2648.06 47.69 o
-7 16 1 5984.57 5912.09 108.33 o
7 9 1 5857.06 5860.75 86.23 o
-4 16 1 3266.14 3174.76 112.71 o
4 12 1 3484.87 3476.07 73.94 o
-1 16 1 2878.26 2902.66 43.12 o
1 15 1 2204.11 2250.50 40.49 o
-15 17 1 2312.65 2358.41 39.95 o
-17 15 1 2116.82 2105.10 42.65 o
-12 17 1 2415.82 2469.78 42.11 o
-17 12 1 3352.63 3578.88 52.93 o
-9 17 1 1963.41 1909.78 30.80 o
-17 9 1 1952.74 1982.73 38.56 o
-6 17 1 2615.27 2526.27 42.20 o
6 11 1 2688.01 2730.78 53.13 o
-3 17 1 1851.85 1865.38 40.17 o
3 14 1 2273.37 2342.25 42.85 o
0 17 1 1385.69 1451.28 35.24 o
-17 18 1 1038.66 1063.32 28.36 o
-18 17 1 749.37 752.01 30.77 o
-14 18 1 2809.42 2830.48 44.35 o
-18 14 1 2756.51 2694.78 49.69 o
-11 18 1 7226.74 7138.71 74.94 o
-18 11 1 7254.42 7352.72 75.65 o
-8 18 1 1393.78 1352.56 29.48 o
8 10 1 1004.64 1039.79 30.25 o
-5 18 1 4739.52 4654.99 59.12 o
5 13 1 4675.31 4671.67 62.88 o
-2 18 1 4930.08 4812.63 66.56 o
2 16 1 5056.70 5168.05 53.61 o
-19 19 1 255.00 284.56 18.46 o
-16 19 1 1082.42 1104.05 30.77 o
-19 16 1 923.30 960.98 28.29 o
-13 19 1 1602.75 1627.66 60.37 o
-19 13 1 1205.34 1252.11 37.36 o
-10 19 1 982.16 987.51 41.86 o
-19 10 1 733.98 720.43 26.84 o
-7 19 1 1088.60 1126.64 34.05 o
7 12 1 1449.52 1537.21 38.87 o
-4 19 1 1812.50 1817.23 64.35 o
4 15 1 1320.35 1341.03 32.67 o
-1 19 1 609.54 637.53 32.48 o
1 18 1 632.38 632.16 24.32 o
-18 20 1 4007.57 4228.24 61.01 o
-20 18 1 4123.44 4256.66 51.78 o
-15 20 1 1776.40 1819.15 50.77 o
-20 15 1 1771.84 1852.76 35.93 o
-12 20 1 692.96 719.30 39.71 o
-20 12 1 665.76 700.96 26.34 o
-9 20 1 5537.87 5616.85 60.38 o
9 11 1 5861.00 6032.87 78.73 o
-6 20 1 969.06 982.91 34.58 o
6 14 1 980.40 1064.58 32.11 o
-3 20 1 915.44 946.85 31.47 o
3 17 1 915.79 958.47 26.90 o
0 20 1 1905.22 1929.09 64.93 o
-20 21 1 271.12 275.86 19.70 o
-21 20 1 263.87 267.98 20.27 o
-17 21 1 1223.23 1287.04 43.32 o
-21 17 1 959.82 965.99 55.40 o
-14 21 1 1078.40 1142.72 56.42 o
-21 14 1 1502.11 1615.58 36.24 o
-11 21 1 653.84 624.32 26.59 o
-21 11 1 532.68 577.01 21.49 o
-8 21 1 1720.18 1681.13 60.43 o
8 13 1 1326.59 1377.72 36.14 o
-5 21 1 876.25 893.99 36.52 o
5 16 1 1161.61 1232.86 27.68 o
-2 21 1 632.16 621.13 27.25 o
2 19 1 438.83 460.49 24.74 o
-22 22 1 1305.22 1172.99 32.47 o
-19 22 1 595.98 638.99 27.79 o
-22 19 1 896.82 931.82 26.68 o
-16 22 1 1153.67 1205.83 59.81 o
-22 16 1 1382.66 1508.94 56.84 o
-13 22 1 2445.50 2384.87 66.45 o
-22 13 1 2472.54 2587.38 38.76 o
-10 22 1 757.92 777.59 36.79 o
10 12 1 1091.15 1161.50 28.86 o
-7 22 1 1147.82 1135.86 50.43 o
7 15 1 1266.57 1303.27 54.93 o
-4 22 1 2803.75 2917.11 66.29 o
4 18 1 2796.36 2908.61 61.74 o
-1 22 1 405.34 392.62 19.47 o
1 21 1 625.44 600.69 22.55 o
-21 23 1 457.98 447.41 21.08 o
-23 21 1 350.13 341.80 19.56 o
-18 23 1 811.97 799.46 36.84 o
-23 18 1 960.09 963.82 31.08 o
-15 23 1 1608.83 1593.38 50.68 o
-23 15 1 1275.87 1334.99 46.06 o
-12 23 1 613.40 602.96 33.07 o
-23 12 1 718.29 741.42 28.05 o
-9 23 1 798.04 797.22 28.85 o
9 14 1 847.35 856.47 41.50 o
-6 23 1 847.95 859.20 37.87 o
6 17 1 785.26 809.73 39.38 o
-3 23 1 555.13 541.17 25.90 o
3 20 1 566.03 542.48 27.34 o
-20 24 1 1617.90 1535.11 30.95 o
-24 20 1 1551.57 1343.68 42.94 o
-17 24 1 805.62 776.96 31.56 o
-24 17 1 840.55 822.48 24.83 o
-14 24 1 536.64 566.40 28.22 o
-24 14 1 712.12 738.86 22.49 o
-11 24 1 2528.33 2392.72 85.81 o
11 13 1 2466.31 2430.95 86.84 o
-8 24 1 732.61 718.79 45.06 o
8 16 1 799.40 764.26 25.42 o
-5 24 1 518.21 544.90 34.16 o
5 19 1 755.40 713.53 20.32 o
-16 25 1 1695.46 1528.96 31.00 o
-25 16 1 1663.80 1551.88 31.32 o
-13 25 1 696.73 559.87 27.94 o
-25 13 1 653.21 637.99 41.16 o
-10 25 1 861.82 727.26 30.55 o
10 15 1 598.53 547.67 17.55 o
7 18 1 1540.20 1377.22 39.74 o
0 1 2 9707.96 10255.10 95.55 o
-2 2 2 155434.00 189803.00 2989.25 o
-1 3 2 18311.40 18558.40 151.74 o
1 2 2 18841.70 19323.00 184.67 o
-3 4 2 35055.40 36797.90 413.19 o
-4 3 2 37938.30 40358.60 281.31 o
0 4 2 41985.10 41308.50 587.36 o
-5 5 2 34543.10 34412.70 474.65 o
-2 5 2 24893.40 24668.80 307.22 o
2 3 2 24983.60 24844.00 199.96 o
-4 6 2 27041.10 27188.10 321.87 o
-6 4 2 26611.20 26550.70 215.71 o
-1 6 2 7487.80 7470.12 87.60 o
1 5 2 8910.68 8973.33 72.11 o
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-3 7 2 19640.60 19370.20 178.91 o
3 4 2 18805.40 18605.40 172.38 o
0 7 2 71937.30 70286.70 1384.60 o
-8 8 2 6570.53 6552.66 61.90 o
-5 8 2 9436.58 9584.75 104.18 o
-8 5 2 9677.85 9792.52 89.73 o
-2 8 2 9887.40 9818.32 132.77 o
2 6 2 9667.30 9498.76 74.94 o
-7 9 2 38235.10 38143.30 473.98 o
-9 7 2 38486.30 37928.00 405.71 o
-4 9 2 15489.70 15153.40 180.44 o
4 5 2 15403.60 14959.20 235.65 o
-1 9 2 4672.91 4647.18 54.10 o
1 8 2 4922.30 4814.86 51.37 o
-9 10 2 2575.65 2629.43 41.11 o
-10 9 2 3093.49 3110.68 58.25 o
-6 10 2 8434.27 8454.12 153.99 o
-10 6 2 6823.10 6835.53 61.30 o
-3 10 2 5333.24 5353.42 95.65 o
3 7 2 6065.28 6055.92 64.84 o
0 10 2 2257.79 2233.10 34.10 o
-11 11 2 18796.10 18687.30 244.96 o
-8 11 2 3849.73 3871.57 59.41 o
-11 8 2 4382.04 4375.65 53.70 o
-5 11 2 9815.38 9486.90 129.30 o
5 6 2 9783.12 9686.88 70.09 o
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2 9 2 18564.50 18165.20 149.70 o
-10 12 2 3204.21 3191.72 53.30 o
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4 8 2 4263.04 4222.18 53.08 o
-1 12 2 2546.09 2503.77 52.45 o
1 11 2 2629.50 2622.07 46.52 o
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-13 12 2 2156.98 2212.55 45.46 o
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3 10 2 3743.24 3873.84 53.74 o
0 13 2 18155.60 17959.70 286.77 o
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5 9 2 7986.17 7962.99 128.29 o
-2 14 2 3401.61 3327.35 67.57 o
2 12 2 3430.52 3374.09 57.88 o
-13 15 2 7274.95 7337.11 170.73 o
-15 13 2 7252.86 7313.25 96.23 o
-10 15 2 2477.22 2615.67 78.88 o
-15 10 2 2523.37 2603.18 45.12 o
-7 15 2 3734.11 3694.00 72.27 o
7 8 2 3558.93 3600.38 55.57 o
-4 15 2 5071.45 4942.76 131.39 o
4 11 2 5020.66 5069.45 73.36 o
-1 15 2 1136.54 1125.77 32.03 o
1 14 2 1113.86 1093.79 32.85 o
-15 16 2 1708.98 1729.06 38.27 o
-16 15 2 1723.87 1707.84 38.88 o
-12 16 2 3033.47 3035.24 77.21 o
-16 12 2 2369.48 2384.78 48.80 o
-9 16 2 9381.53 9324.69 166.65 o
-16 9 2 9418.13 9479.27 88.79 o
-6 16 2 2903.35 2967.93 102.73 o
6 10 2 2192.74 2239.65 43.40 o
-3 16 2 2782.69 2721.76 43.84 o
3 13 2 2553.99 2552.17 43.46 o
0 16 2 5790.12 5796.75 83.43 o
-17 17 2 1273.15 1332.02 34.61 o
-14 17 2 1918.82 1973.05 40.73 o
-17 14 2 2340.48 2424.55 42.01 o
-11 17 2 2435.33 2409.49 42.42 o
-17 11 2 2125.70 2110.67 42.11 o
-8 17 2 1508.38 1453.38 29.49 o
8 9 2 1735.73 1702.10 55.10 o
-5 17 2 2297.21 2227.00 42.14 o
5 12 2 2202.93 2249.44 64.06 o
-2 17 2 2165.94 2076.19 36.16 o
2 15 2 2070.55 2043.31 39.25 o
-16 18 2 4112.51 4140.64 59.89 o
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